2-Chloro-5-methylthiophene

C5H5ClSCAS 17249-82-0132.61 g/mol

Open in Covalent MOL file
SCl
Aryl halide

Properties

Molecular formula
C5H5ClS
Molar mass
132.61 g/mol
Exact mass
131.9800 Da
logP
2.71Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
17249-82-0
SMILES
CC1=CC=C(S1)Cl
InChIKey
JSMMZMYGEVUURX-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClS/c1-4-2-3-5(6)7-4/h2-3H,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Thiophene, 2-chloro-5-methyl-

Work with 2-Chloro-5-methylthiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dichlorothiophene173777-89-458 % similar 2,5-Dichlorothiophene3172-52-958 % similar 2,5-Dimethylthiophene638-02-858 % similar 2-Iodo-5-methylthiophene16494-36-344 % similar 2-Bromo-5-chlorothiophene2873-18-944 % similar 2-Bromo-5-methylthiophene765-58-244 % similar 2-Chloro-5-(chloromethyl)thiophene23784-96-541 % similar 2-Acetyl-5-chlorothiophene6310-09-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-methylthiophene14345-97-2 2-chloromethylThiophene765-50-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook